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Fix usage of mkdssp>=4 #853

Fix usage of mkdssp>=4

Fix usage of mkdssp>=4 #853

Triggered via pull request March 2, 2025 14:45
Status Failure
Total duration 19m 52s
Artifacts 20

test_and_deploy.yml

on: pull_request
Build CCD and wheel for reusing it in several CI jobs
4m 43s
Build CCD and wheel for reusing it in several CI jobs
Generate wheels matrix
9s
Generate wheels matrix
Check code style
13s
Check code style
Build documentation
6m 56s
Build documentation
Build source distribution
21s
Build source distribution
Test interfaces to databases and applications
6m 30s
Test interfaces to databases and applications
Test interface to Muscle 5
59s
Test interface to Muscle 5
Run benchmarks
8m 55s
Run benchmarks
Upload CCD to GitHub Releases
7s
Upload CCD to GitHub Releases
Matrix: Build & Test
Upload documentation to GitHub Releases and documentation website
0s
Upload documentation to GitHub Releases and documentation website
Upload package to GitHub Releases & PyPI
0s
Upload package to GitHub Releases & PyPI
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Annotations

1 error and 5 warnings
Test interfaces to databases and applications
Process completed with exit code 1.
Test interface to Muscle 5
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
Test interfaces to databases and applications
/home/runner/miniconda3/lib/python3.12/site-packages/conda/base/context.py:201: FutureWarning: Adding 'defaults' to channel list implicitly is deprecated and will be removed in 25.3. To remove this warning, please choose a default channel explicitly with conda's regular configuration system, e.g. by adding 'defaults' to the list of channels: conda config --add channels defaults For more information see https://docs.conda.io/projects/conda/en/stable/user-guide/configuration/use-condarc.html deprecated.topic(
Test interfaces to databases and applications
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
Build documentation
/home/runner/miniconda3/lib/python3.12/site-packages/conda/base/context.py:201: FutureWarning: Adding 'defaults' to channel list implicitly is deprecated and will be removed in 25.3. To remove this warning, please choose a default channel explicitly with conda's regular configuration system, e.g. by adding 'defaults' to the list of channels: conda config --add channels defaults For more information see https://docs.conda.io/projects/conda/en/stable/user-guide/configuration/use-condarc.html deprecated.topic(
Build documentation
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.

Artifacts

Produced during runtime
Name Size
ccd
33.8 MB
documentation
75.5 MB
internal-build
50.2 MB
release-cp310-macosx_arm64
37.2 MB
release-cp310-macosx_x86_64
37.4 MB
release-cp310-manylinux_x86_64
50 MB
release-cp310-win_amd64
37.2 MB
release-cp311-macosx_arm64
37.2 MB
release-cp311-macosx_x86_64
37.4 MB
release-cp311-manylinux_x86_64
51 MB
release-cp311-win_amd64
37.2 MB
release-cp312-macosx_arm64
37.2 MB
release-cp312-macosx_x86_64
37.4 MB
release-cp312-manylinux_x86_64
52.7 MB
release-cp312-win_amd64
37.1 MB
release-cp313-macosx_arm64
37.2 MB
release-cp313-macosx_x86_64
37.4 MB
release-cp313-manylinux_x86_64
52.5 MB
release-cp313-win_amd64
37.1 MB
release-sdist
34.3 MB